Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Dioxane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GALR3 | O60755 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Dioxane SCHEMBL1741544 | 0.91 | TSHR (0.70) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| Alcohol SCHEMBL247964 | 0.87 | TSHR (0.78) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| Alcohol SCHEMBL27846676 | 0.84 | TSHR (0.74) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| Alcohol SCHEMBL23702395 | 0.84 | TSHR (0.74) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| Tetrahydrofuran SCHEMBL2502942 | 0.83 | TSHR (0.64) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| Propane SCHEMBL27531646 | 0.79 | TSHR (0.82) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| Propanol SCHEMBL5373909 | 0.78 | TSHR (0.70) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| Pentane SCHEMBL4454016 | 0.78 | TSHR (0.70) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| Morpholine SCHEMBL3316539 | 0.78 | TSHR (0.56) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL4977794 | 0.78 | TSHR (0.56) | TSHRGAAKMT2AMEN1SMN1; SMN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1611109-A4 | NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF | TAISHO PHARMACEUTICAL CO LTD (JP) | 2009-06-24 | — | — | EP | disclosed |
| EP-1611109-A1 | NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF | TAISHO PHARMACEUTICAL CO., LTD (JP) | 2006-01-04 | — | — | EP | disclosed |
| WO-2004087680-A1 | NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2004-10-14 | — | — | WO | disclosed |